Information card for entry 7010626

Structure parameters

• Formula: C72 H106 N6 O8
• Calculated formula: C72.012 H106 N6 O8.005
• Title of publication: Concurrent insertion of cationic guest and solvent molecules in molecular receptors. Co-complexation of the sodium cation and acetonitrile by a calix[4]arene tetra-acetamide
• Authors of publication: Arvin Moser; Glenn P. A. Yap; Christian Detellier
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 428 - 434
• a: 11.38 ± 0.002 Å
• b: 26.899 ± 0.005 Å
• c: 11.468 ± 0.002 Å
• α: 90°
• β: 96.382 ± 0.003°
• γ: 90°
• Cell volume: 3488.7 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.2855
• Weighted residual factors for all reflections included in the refinement: 0.2963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No